1-[(2,4-dimethylphenyl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,4-dimethylphenyl)-pyridin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dimethylphenyl)-(2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dimethylphenyl)-(2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dimethylphenyl)-(2-pyridyl)methyl]nipecotic acid Formula: C20H24N2O2 MolecularWeight: 324.41676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O)C

InChI

InChI=1S/C20H24N2O2/c1-14-8-9-17(15(2)12-14)19(18-7-3-4-10-21-18)22-11-5-6-16(13-22)20(23)24/h3-4,7-10,12,16,19H,5-6,11,13H2,1-2H3,(H,23,24)